CID 58471402

C6H8O6P — CID 58471402

IUPAC—
SMILES[CH][CH]P(=O)(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O6P/c1-2-13(11,12)4(6(9)10)3-5(7)8/h1-2,4H,3H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyYNUNCGQKEOPCBB-UHFFFAOYSA-N
MW207.10 g/mol
LogP0.06
Rot. Bonds5

About CID 58471402

CID 58471402 (PubChem CID 58471402) has the molecular formula C6H8O6P and a molecular weight of 207.10 g/mol.

Molecular Properties

Compound NameCID 58471402
PubChem CID58471402
Molecular FormulaC6H8O6P
Molecular Weight207.10 g/mol
Exact Mass207.01
IUPAC Name—
SMILES[CH][CH]P(=O)(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O6P/c1-2-13(11,12)4(6(9)10)3-5(7)8/h1-2,4H,3H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyYNUNCGQKEOPCBB-UHFFFAOYSA-N
XLogP0.06
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[1,2-dicarboxyethyl(hydroxy)phosphoryl]butanedioic acid
CID 18519476
2-[hydroxy(methoxy)phosphoryl]butanedioic acid
CID 19418286
sodium;hydride;4-phosphonobutane-1,2,4-tricarboxylic acid
CID 175304454
(2S)-2-[hydroxy-[(1S,2S)-2-hydroxycyclohexyl]phosphoryl]butanedioic acid
CID 28694015
3,3-bis(dimethylphosphoryl)propanoic acid
CID 155820609
potassium;sodium;hydride;2-hydroxybutanedioic acid;phosphoric acid
CID 174791602
(3-carboxy-3-phosphonopropanoyl)-trihydroxyphosphanium
CID 57318590
tetrasodium;2-(diphosphonomethyl)butanedioic acid;hydride
CID 173319890
2-methyl-3-phosphonopentanedioic acid
CID 19107762
3-[(2-carboxy-1-phosphonoethyl)amino]-3-phosphonopropanoic acid
CID 90023765
3-hydroxy-4-phosphonobutanoic acid
CID 14010317
1-hydroxy-1-phosphonopropane-1,2,3-tricarboxylic acid
CID 18534068

Frequently Asked Questions

What is the IUPAC name of CID 58471402?
The IUPAC name of CID 58471402 (CID 58471402) is not available.
What is the SMILES notation for CID 58471402?
The canonical SMILES for CID 58471402 is [CH][CH]P(=O)(O)C(CC(=O)O)C(=O)O.
What is the InChIKey of CID 58471402?
The InChIKey is YNUNCGQKEOPCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O6P/c1-2-13(11,12)4(6(9)10)3-5(7)8/h1-2,4H,3H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of CID 58471402?
CID 58471402 has a molecular weight of 207.10 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58471402 is sourced from PubChem (CID 58471402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).